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Cyclododecanecarbonitrile, 1-(3-hydroxypropyl)-2-oxo-
SpectraBase Compound ID 7PlcATbxUCk
InChI InChI=1S/C16H27NO2/c17-14-16(12-9-13-18)11-8-6-4-2-1-3-5-7-10-15(16)19/h18H,1-13H2
InChIKey VSCZBSIQWNMWFS-UHFFFAOYSA-N
Mol Weight 265.4 g/mol
Molecular Formula C16H27NO2
Exact Mass 265.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dKkVKPxgF5
Name Cyclododecanecarbonitrile, 1-(3-hydroxypropyl)-2-oxo-
CAS Registry Number 111887-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO2
InChI InChI=1S/C16H27NO2/c17-14-16(12-9-13-18)11-8-6-4-2-1-3-5-7-10-15(16)19/h18H,1-13H2
InChIKey VSCZBSIQWNMWFS-UHFFFAOYSA-N
Molecular Weight 265.397 g/mol
SMILES OCCCC1(C#N)C(=O)CCCCCCCCCC1
SPLASH splash10-052f-9200000000-5c84df68a8c9873107d4
Source of Spectrum H-70-762-3
Synonyms 1-(3-hydroxypropyl)-2-oxo-1-cyclododecanecarbonitrile 1-(3-hydroxypropyl)-2-oxocyclododecane-1-carbonitrile 1-(3-hydroxypropyl)-2-oxo-cyclododecanecarbonitrile 2-Oxidanylidene-1-(3-oxidanylpropyl)cyclododecane-1-carbonitrile
Wiley ID 1269105